Research Output per year
Research Output 2005 2019
- 1 - 50 out of 128 results
- Publication Year, Title (descending)
2019
Conservation of Hot Thermal Spin-Orbit Population of 2 P Atoms in a Cold Quantum Fluid Environment
Thaler, B., Meyer, R., Heim, P., Ranftl, S., Pototschnig, J. V., Hauser, A. W., Koch, M. & Ernst, W. E., 9 May 2019, In : Journal of Physical Chemistry A. 123, 18, p. 3977-3984 8 p.Research output: Contribution to journal › Article › Research › peer-review
Helium
Ground state
conservation
Conservation
Orbits
Vanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditions
Lasserus, M., Schnedlitz, M., Messner, R., Lackner, F., Ernst, W. E. & Hauser, A. W., 28 Mar 2019, In : Chemical science. 10, 12, p. 3473-3480 8 p.Research output: Contribution to journal › Article › Research › peer-review
Vanadium
Sublimation
Oxides
Nanoparticles
Metals
2018
A comparison of machine learning algorithms for transition state searches in computational chemistry
Schmuck, K., Meyer, R. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 101Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
A neural network based approach to SCF initial guesses
Cartus, J. J., Meyer, R. & Hauser, A., Jun 2018, p. 50. 1 p.Research output: Contribution to conference › Abstract › Research › peer-review
Applicability of Neural Network-based Approaches to SCF Initial Guess Generation
Cartus, J. J., Meyer, R. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 101Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous Graphene
Fruehwirth, S. M., Meyer, R. & Hauser, A. W., 18 Sep 2018, In : ChemPhysChem. 19, 18, p. 2331-2339 9 p.Research output: Contribution to journal › Article › Research › peer-review
Graphite
Density functional theory
Screening
graphene
screening
Core-Shell Nanoparticles for Plasmonics and Catalysis
Schiffmann, A., Schnedlitz, M., Lasserus, M. I., Messner, R., Lackner, F., Hauser, A., Knez, D., Hofer, F. & Ernst, W. E., Oct 2018. 1 p.Research output: Contribution to conference › Abstract › Research › peer-review
Core-shell nanoparticles prepared in superfluid helium droplets: structure, phase transitions, and alloy formation
Schiffmann, A., Schnedlitz, M., Lasserus, M. I., Messner, R., Lackner, F., Meyer, R., Hauser, A., Knez, D., Hofer, F. & Ernst, W. E., Oct 2018. 1 p.Research output: Contribution to conference › Abstract › Research › peer-review
Embedded atom model potentials for metallic nanoparticles based on neural networks
Meyer, R., Fuchs, A. & Hauser, A., Jun 2018, p. 27. 1 p.Research output: Contribution to conference › Abstract › Research › peer-review
Femtosecond photoexcitation dynamics inside a quantum solvent
Thaler, B., Ranftl, S., Heim, P., Cesnik, S., Treiber, L., Meyer, R., Hauser, A. W., Ernst, W. E. & Koch, M., 1 Dec 2018, In : Nature Communications. 9, 1, 4006.Research output: Contribution to journal › Article › Research › peer-review
Helium
Photoexcitation
photoexcitation
Solvation
solvation
Molecular Collisions in Helium Droplets: From Spatial Hindrance to Controlled Molecular Synthesis
Hauser, A., De Lara-Castells, M. P. & Ernst, W. E., 25 Mar 2018.Research output: Contribution to conference › Abstract › Research › peer-review
Neural network based embedded atom model potentials for metallic nanoparticles
Meyer, R., Ernst, W. E. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 27Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
On the stability of Ag-Au and Ni-Au core-shell particles at elevated temperatures: diffusion, oxidation and structural inversion at atomic resolution
Schnedlitz, M., Lasserus, M. I., Meyer, R., Messner, R., Schiffmann, A., Lackner, F., Ernst, W. E., Hauser, A., Knez, D. & Hofer, F., Feb 2018. 1 p.Research output: Contribution to conference › Abstract › Research › peer-review
On the Unexpected Alloying Behaviour of Ni-Au and Co-Au Core-Shell Nanoparticles,
Hauser, A., Schnedlitz, M., Lasserus, M. I., Meyer, R., Ernst, W. E., Knez, D., Hofer, F., Fernandez-Perea, R. & De Lara-Castells, M. P., Dec 2018, p. 1.Research output: Contribution to conference › Abstract › Research › peer-review
Stability of Core-Shell Nanoparticles for Catalysis at Elevated Temperatures: Structural Inversion in the Ni-Au System Observed at Atomic Resolution
Schnedlitz, M., Lasserus, M., Meyer, R., Knez, D., Hofer, F., Ernst, W. E. & Hauser, A. W., 13 Feb 2018, In : Chemistry of Materials. 30, 3, p. 1113-1120 8 p.Research output: Contribution to journal › Article › Research › peer-review
Catalysis
Nanoparticles
Shells (structures)
Transmission electron microscopy
Cooling
Temperature studies of Ni@Au and Co@Au core@shell systems on the nanoscale
Schiffmann, A., Schnedlitz, M., Meyer, R., Lasserus, M. I., Messner, R., Lackner, F., Hauser, A., Ernst, W. E., Knez, D. & Hofer, F., Feb 2018. 1 p.Research output: Contribution to conference › Abstract › Research › peer-review
Temperature Studies of Ni@Au and Co@Au Core@Shell Systems on the Nanoscale
Schiffmann, A., Schnedlitz, M., Meyer, R., Lasserus, M. I., Messner, R., Lackner, F., Knez, D., Hofer, F., Hauser, A. & Ernst, W. E., 6 Feb 2018.Research output: Contribution to conference › Poster › Research
Theoretical insights into the oxidation of subnanometer-sized Cu5 clusters
Zachnet, A., Mitrushchenkov, O., Hauser, A. & De Lara-Castells, M. P., Dec 2018.Research output: Contribution to conference › Abstract › Research
Thermally induced alloying processes in a bimetallic system at the nanoscale: AgAu sub-5 nm core-shell particles studied at atomic resolution
Lasserus, M., Schnedlitz, M., Knez, D., Messner, R., Schiffmann, A., Lackner, F., Hauser, A. W., Hofer, F. & Ernst, W. E., 2018, In : Nanoscale. 10, 4, p. 2017-2024 8 p.Research output: Contribution to journal › Article › Research › peer-review
Thermally induced alloying process in core@shell AgAu particles: A new method to measure diffusion on the nanoscale
Lasserus, M. I., Schnedlitz, M., Hauser, A., Knez, D., Messner, R., Schiffmann, A., Lackner, F., Hofer, F. & Ernst, W. E., Sep 2018, p. 82.Research output: Contribution to conference › Abstract › Research › peer-review
To be or not to be alloyed: The unexpected behaviour of Ni-Au and Co-Au core-shell nanoparticles upon heating
Schnedlitz, M., Knez, D., Meyer, R., Lasserus, M. I., Messner, R., Schiffmann, A., Lackner, F., Hauser, A., Hofer, F. & Ernst, W. E., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 82Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
Transition state search accelerated with machine learning algorithms
Schmuck, K. & Hauser, A., Jun 2018, p. 76. 1 p.Research output: Contribution to conference › Abstract › Research › peer-review
2017
Ab Initio Confirmation of a Harpoon-Type Electron Transfer in a Helium Droplet
De Lara-Castells, M. P., Hauser, A. W. & Mitrushchenkov, A. O., 7 Sep 2017, In : Journal of Physical Chemistry Letters. 8, 17, p. 4284-4288 5 p.Research output: Contribution to journal › Article › Research › peer-review
Helium
Superfluid helium
Electrons
Molecules
Ionization
A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles
Hauser, A. W., Schnedlitz, M. & Ernst, W. E., 1 Jun 2017, In : The European physical journal / D. 71, 6, 150.Research output: Contribution to journal › Article › Research › peer-review
surface diffusion
nanoparticles
cellular automata
imaging techniques
wetting
Alkali-metal – alkaline-earth-metal diatomics: analysis of de-excitation mechanisms for population transfer from weakly bound states to the lowest ground state levels
Pototschnig, J. V., Meyer, R., Hauser, A. & Ernst, W. E., Aug 2017, p. 101.Research output: Contribution to conference › Abstract › Research › peer-review
Electronic excitation and nuclear motion of atomic dopants in He nanodroplets
Hauser, A., Schnedlitz, M., Pototschnig, J. V., Meyer, R. & Ernst, W. E., Oct 2017, p. 18.Research output: Contribution to conference › Abstract › Research › peer-review
Influence of spin-orbit quenching on the solvation of indium in helium droplets
Meyer, R., Pototschnig, J. V., Ernst, W. E. & Hauser, A., Jun 2017.Research output: Contribution to conference › Abstract › Research › peer-review
In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation
Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., 2017.Research output: Contribution to conference › Poster › Research
File
In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation
Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., Aug 2017, p. 582.Research output: Contribution to conference › Abstract › Research › peer-review
In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation
Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., 2017, ASEM. p. 47Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research
In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation
Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., 2017.Research output: Contribution to conference › Poster › Research
File
Lowest electronic states of alkali (Li, Na, K, Rb) – alkaline-earth (Ca, Sr) diatomic molecules
Pototschnig, J. V., Meyer, R., Hauser, A. & Ernst, W. E., Aug 2017, p. 599.Research output: Contribution to conference › Abstract › Research › peer-review
Metallic nanoparticles prepared in superfluid helium droplets: structure, phase transitions, alloy formation
Schnedlitz, M., Lasserus, M. I., Knez, D., Hauser, A., Hofer, F. & Ernst, W. E., Apr 2017.Research output: Contribution to conference › Abstract › Research › peer-review
On the submersion of alkali metals in prestine and doped helium-nano droplets
Kranabetter, L., Kaiser, A., Renzler, M., Daxner, M., Hauser, A., Ernst, W. E., Lindinger, A., Zillich, R., Ellis, A. M. & Scheier, P., Jun 2017.Research output: Contribution to conference › Poster › Research › peer-review
Quantum confinement of molecular deuterium clusters in carbon nanotubes:: Ab initio evidence for hexagonal close packing
De Lara-Castells, M. P., Hauser, A. W., Mitrushchenkov, A. O. & Fernández-Perea, R., 2017, In : Physical Chemistry Chemical Physics. 19, 42, p. 28621-28629 9 p.Research output: Contribution to journal › Article › Research › peer-review
Carbon Nanotubes
Quantum confinement
Deuterium
deuterium
carbon nanotubes
Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon Nanotubes
Hauser, A. W., Mitrushchenkov, A. O. & De Lara-Castells, M. P., 23 Feb 2017, In : Journal of Physical Chemistry C. 121, 7, p. 3807-3821 15 p.Research output: Contribution to journal › Article › Research › peer-review
Helium
Carbon Nanotubes
Density functional theory
Carbon nanotubes
Nitrogen
Rydberg states of alkali atoms on helium droplets: electrons in a Coulomb potential shielded by a superfluid dielectric
Hauser, A., Pototschnig, J. V., Lackner, F. & Ernst, W. E., Aug 2017, p. 39.Research output: Contribution to conference › Abstract › Research › peer-review
Rydberg states of alkali atoms on superfluid helium nanodroplets: Inside or outside?
Pototschnig, J. V., Lackner, F., Hauser, A. W. & Ernst, W. E., 16 May 2017, In : Physical chemistry, chemical physics. 19, 22, p. 14718-14728 11 p.Research output: Contribution to journal › Article › Research › peer-review
Rydberg states
Superfluid helium
Alkalies
alkalies
helium
Rydberg states of alkali metal atoms on superfluid helium droplets - theoretical considerations
Pototschnig, J. V., Lackner, F., Hauser, A. & Ernst, W. E., Jun 2017.Research output: Contribution to conference › Abstract › Research › peer-review
Spatial quenching of a molecular charge-transfer process in a quantum fluid: the Csx-C60 reaction in superfluid helium nanodroplets
Hauser, A. & de Lara-Castells, M. P., 2017, In : Physical chemistry, chemical physics. 19, p. 1342-1351 10 p.Research output: Contribution to journal › Article › Research › peer-review
The Csx-C 60 reaction in superfluid helium nanodroplets: An example for a spatially quenched electron transfer
Hauser, A. & De Lara-Castells, M. P., Jun 2017.Research output: Contribution to conference › Paper › Research › peer-review
Thermally induced breakup of metallic nanowires: Experiment and theory
Schnedlitz, M., Lasserus, M., Knez, D., Hauser, A. W., Hofer, F. & Ernst, W. E., 2017, In : Physical chemistry, chemical physics. 19, 14, p. 9402-9408 7 p.Research output: Contribution to journal › Article › Research › peer-review
Nanowires
nanowires
wire
Wire
Superfluid helium
Vibronic transitions in the alkali-metal (Li, Na, K, Rb) - Alkaline-earth-metal (Ca, Sr) series: A systematic analysis of de-excitation mechanisms based on the graphical mapping of Frank-Condon integrals
Pototschnig, J. V., Meyer, R., Hauser, A. W. & Ernst, W. E., 2 Feb 2017, In : Physical review / A. 95, 2, p. 022501-1 - 022501-18 022501.Research output: Contribution to journal › Article › Research › peer-review
alkaline earth metals
alkali metals
excitation
molecules
ground state
2016
Alkali-Alkaline Earth Diatomics: Molecules for Ultracold Physics
Lackner, F., Pototschnig, J. V., Hauser, A. & Ernst, W. E., 22 Aug 2016, p. 5.Research output: Contribution to conference › Abstract › Research › peer-review
A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: Effects of intermetallic interaction
Hauser, A., Horn, P. R., Head-Gordon, M. & Bell, A. T., 28 Apr 2016, In : Physical chemistry, chemical physics. 18, 16, p. 10906-10917 12 p.Research output: Contribution to journal › Article › Research › peer-review
Propane
Alkanes
Catalyst selectivity
Dehydrogenation
dehydrogenation
Bimetallic nanoparticles formed in helium nanodroplets: Structural features and their dependence on temperature
Hauser, A. & Ernst, W. E., 14 Dec 2016.Research output: Contribution to conference › Abstract › Research › peer-review
BONDING OF ALKALI-ALKALINE EARTH MOLECULES IN THE LOWEST Σ+ STATES OF DOUBLET AND QUARTET MULTIPLICITY
Pototschnig, J. V., Hauser, A. & Ernst, W. E., 21 Jun 2016.Research output: Contribution to conference › Abstract › Research
alkalies
dipole moments
molecular physics
molecules
molecular properties
Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action
Hauser, A. & De Lara-Castells, M. P., 1 Dec 2016, In : The journal of physical chemistry letters . 7, 23, p. 4929-4935 7 p.Research output: Contribution to journal › Article › Research › peer-review
Superfluid helium
Helium
Carbon Nanotubes
Quantum confinement
wetting
Chiral separation via two-dimensional, porous nanostructures
Frühwirth, S. M. & Hauser, A., 29 Sep 2016, p. 206-207.Research output: Contribution to conference › Abstract › Research › peer-review
Communication: Dopant-induced solvation of alkalis in liquid helium nanodroplets
Renzler, M., Daxner, M., Kranabetter, L., Kaiser, A., Hauser, A., Ernst, W. E., Lindinger, A., Zillich, R., Scheier, P. & Ellis, A. M., 2016, In : The journal of chemical physics. 145, 18, p. 181101-1 - 181101-4 5 p.Research output: Contribution to journal › Article › Research › peer-review